Structure Database (LMSD)

Common Name
2,5,6-Trimethyloctane
Systematic Name
2,5,6-Trimethyloctane
Synonyms
LM ID
LMFA11000680
Formula
C11H24
Exact Mass
Calculate m/z
156.1878
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Microcoleus vaginatus (#119532)
Cyanophyceae (#3028117)
[Branched alkanes and other apolar compounds produced by the cyanobacterium Microcoleus vaginatus from the Negev desert],
Bioorg Khim, 2001
Pubmed ID: 11357397

String Representations

InChiKey (Click to copy)
VHBZECSWMWWTMQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H24/c1-6-10(4)11(5)8-7-9(2)3/h9-11H,6-8H2,1-5H3
SMILES (Click to copy)
CC(C)CCC(C)C(C)CC

Other Databases

PubChem CID
545571

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 198.86
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.10
Molar Refractivity 52.69

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Updated at
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